SCHEMBL6659969

SCHEMBL6659969

COc1ccc(NCc2nn(CCO)c(N)c2N)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DHFR P00374 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GPX4 P36969 3/20 0.41
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40
PIK3CD O00329 1/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
HCK P08631 1/20 0.40
SRC P12931 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6665957 0.99 GAA (0.41) GAAALDH1A1MAPTKDM4EMAPK1
Hydrochloric Acid SCHEMBL6665463 0.80 ALDH1A1 (0.36) GAAALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL6659051 0.80 TUBB4A (0.42) GAAALDH1A1MAPTL3MBTL1MEN1
SCHEMBL6663221 0.80 MAOA (0.37) GAAALDH1A1MAPTKDM4EKDR
Hydrochloric Acid SCHEMBL6659746 0.79 MAOA (0.36) GAAALDH1A1MAPTKDM4EKDR
SCHEMBL6659417 0.79 MEN1 (0.36) GAAALDH1A1MAPTKDM4EMAPK1
SCHEMBL6660415 0.79 MAPT (0.43) GAAALDH1A1MAPTKDM4EMAPK1
Hydrochloric Acid SCHEMBL6663229 0.78 MAPT (0.36) GAAALDH1A1MAPTKDM4EMAPK1
Hydrochloric Acid SCHEMBL6660447 0.78 DHFR (0.42) GAAALDH1A1MAPTKDM4EMAPK1
SCHEMBL6661033 0.78

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1232509-C Diaminopyrazole derivatives and dyes containing these compounds P & G KRYROER CO (US) 2005-12-21 CN claimed
EP-1268436-B1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-08-18 EP claimed
CN-1441786-A Novel diamino pyrazole derivatives and dyes containing said compounds WELLA AG (DE) 2003-09-10 CN claimed
US-6600050-B2 Inorganic and organic acids and agents, containing these compounds, for the oxidative dyeing of fibers such as hair for hair dyes WELLA AG (DE) 2003-07-29 US claimed
US-20030115684-A1 Novel diaminopyrazole derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-06-26 US claimed
EP-1268436-A1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2003-01-02 EP claimed
WO-2002072556-A1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-09-19 WO claimed
CN-1232509-C Diaminopyrazole derivatives and dyes containing these compounds P & G KRYROER CO (US) 2005-12-21 CN disclosed
EP-1268436-B1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-08-18 EP disclosed
CN-1441786-A Novel diamino pyrazole derivatives and dyes containing said compounds WELLA AG (DE) 2003-09-10 CN disclosed
US-6600050-B2 Inorganic and organic acids and agents, containing these compounds, for the oxidative dyeing of fibers such as hair for hair dyes WELLA AG (DE) 2003-07-29 US disclosed
US-20030115684-A1 Novel diaminopyrazole derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-06-26 US disclosed
EP-1268436-A1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2003-01-02 EP disclosed
WO-2002072556-A1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-09-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030115684-A1 Novel diaminopyrazole derivatives and dyes containing said compounds AOC1, DPYD, PPOX GAA 1099/4885ALDH1A1 128/4885MAPT 349/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.